| SpectraBase Spectrum ID |
GXJbpL5dukI |
| Name |
4-Fluoro-N-4-piperidinylbenzamide, N'-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.092753001 u |
| Formula |
C16H14F8N2O2 |
| InChI |
InChI=1S/C16H14F8N2O2/c17-10-3-1-9(2-4-10)12(27)25-11-5-7-26(8-6-11)13(28)14(18,19)15(20,21)16(22,23)24/h1-4,11H,5-8H2,(H,25,27) |
| InChIKey |
KZCMZZDVBFMFIG-UHFFFAOYSA-N |
| Molecular Weight |
418.287 g/mol |
| SMILES |
C1(F)=CC=C(C=C1)C(=O)NC1CCN(CC1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857939 |
